CID 23278256

4-amino-2-ethylpyrimidine-5-carbonitrile

Structural Information

Molecular Formula
C7H8N4
SMILES
CCC1=NC=C(C(=N1)N)C#N
InChI
InChI=1S/C7H8N4/c1-2-6-10-4-5(3-8)7(9)11-6/h4H,2H2,1H3,(H2,9,10,11)
InChIKey
IICZPRJRQVCUPF-UHFFFAOYSA-N
Compound name
4-amino-2-ethylpyrimidine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

148.07489 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.082166 129.1
[M+Na]+ 171.064108 139.5
[M-H]- 147.067614 129.4
[M+NH4]+ 166.108713 145.4
[M+K]+ 187.038048 137.3
[M+H-H2O]+ 131.072150 115.3
[M+HCOO]- 193.073091 148.2
[M+CH3COO]- 207.088741 190.9
[M+Na-2H]- 169.049556 135.7
[M]+ 148.07434142 123.0
[M]- 148.07543858 123.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe